1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane

C22H31N3 — CID 149041478

IUPAC1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane
SMILESCN1CCN(C)CCN(C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H31N3/c1-22(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-18-16-23(2)14-15-24(3)17-19-25/h4-13H,14-19H2,1-3H3
InChIKeyQHQZLFLRQVQSDP-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.13
Rot. Bonds3

About 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane

1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane (PubChem CID 149041478) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane.

Molecular Properties

Compound Name1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane
PubChem CID149041478
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane
SMILESCN1CCN(C)CCN(C(C)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H31N3/c1-22(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-18-16-23(2)14-15-24(3)17-19-25/h4-13H,14-19H2,1-3H3
InChIKeyQHQZLFLRQVQSDP-UHFFFAOYSA-N
XLogP3.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane?
The IUPAC name of 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane (CID 149041478) is 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane.
What is the SMILES notation for 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane?
The canonical SMILES for 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane is CN1CCN(C)CCN(C(C)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane?
The InChIKey is QHQZLFLRQVQSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-22(20-10-6-4-7-11-20,21-12-8-5-9-13-21)25-18-16-23(2)14-15-24(3)17-19-25/h4-13H,14-19H2,1-3H3.
What are the key properties of 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane?
1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane has a molecular weight of 337.51 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diphenylethyl)-4,7-dimethyl-1,4,7-triazonane is sourced from PubChem (CID 149041478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).